(4-tert-butylphenyl)iodanium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate

Systemtic Name: (4-tert-butylphenyl)iodanium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: (4-tert-butylphenyl)iodonium; (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: (4-tert-butylphenyl)iodonium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate IUPAC Name: (4-tert-butylphenyl)iodanium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: (4-tert-butylphenyl)iodonium; (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonate Formula: C20H29IO4S MolecularWeight: 492.41133

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.CC(C)(C)C1=CC=C(C=C1)[IH+]

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.CC(C)(C)C1=CC=C(C=C1)[IH+]

InChI

InChI=1S/C10H14I.C10H16O4S/c1-10(2,3)8-4-6-9(11)7-5-8;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h4-7,11H,1-3H3;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1